Dr. Vitaly V. Chaban
On Mon, Sep 23, 2013 at 2:10 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 9/23/13 6:41 AM, Dr. Vitaly Chaban wrote: >> >> Using trjconv -f traj.xtc -o confout.gro -dump 15000000, I routinely >> get the following error: >> >> Select a group: 0 >> Selected 0: 'System' >> Reading frame 0 time 0.000 >> Precision of traj.xtc is 0.004 (nm) >> Using output precision of 0.001 (nm) >> >> Back Off! I just backed up confout.gro to ./#confout.gro.1# >> Reading frame 17000 time 5100000.000 Floating point exception (core >> dumped) >> > > Looks like a corruption in the trajectory. What does gmxcheck say about > traj.xtc? gmxcheck -f traj.xtc Reading frame 17000 time 5100000.000 Killed >> Can you bypass the frame using -b and dump out the desired frame? No. The process comes to 5.1 ms and is killed. > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Postdoctoral Fellow > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 601 > University of Maryland, Baltimore > 20 Penn St. > Baltimore, MD 21201 > > jalem...@outerbanks.umaryland.edu | (410) 706-7441 > > ================================================== -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
